smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)[O-] ZINC001595644928 981983420 /nfs/dbraw/zinc/98/34/20/981983420.db2.gz LBUGOFQPGBDBLW-SECBINFHSA-N -2 3 315.778 3.683 20 0 DHADHL CCCc1cc(=O)[n-]c(C(=Cc2cc(C)c(C(=O)[O-])o2)CC)n1 ZINC001596050531 983349468 /nfs/dbraw/zinc/34/94/68/983349468.db2.gz KLKYVKAXGPVZSS-FLIBITNWSA-N -2 3 316.357 3.685 20 0 DHADHL CCc1ccc([O-])c(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001597556508 988289778 /nfs/dbraw/zinc/28/97/78/988289778.db2.gz PPPICWXFAAYRRE-UHFFFAOYSA-N -2 3 319.744 3.559 20 0 DHADHL O=C([O-])C1(c2ccc(Nc3ccc([O-])c(Cl)c3)cc2)CC1 ZINC001176590757 1035291603 /nfs/dbraw/zinc/29/16/03/1035291603.db2.gz WDMIWWKMWYRDHR-UHFFFAOYSA-N -2 3 303.745 3.905 20 0 DHADHL O=C(Nc1ccccc1[S-])c1ccc([O-])cc1C(F)(F)F ZINC001193746330 1035727148 /nfs/dbraw/zinc/72/71/48/1035727148.db2.gz VAYCNFNOHLCASR-UHFFFAOYSA-N -2 3 313.300 3.952 20 0 DHADHL CC[C@@H](OCCCCP(=O)([O-])[O-])c1cccc(F)c1C ZINC001225018948 1039015523 /nfs/dbraw/zinc/01/55/23/1039015523.db2.gz MUQMGCHNGUUQKG-CQSZACIVSA-N -2 3 304.298 3.560 20 0 DHADHL O=P([O-])([O-])CCCCOC1CC(c2ccccc2Cl)C1 ZINC001225019105 1039017067 /nfs/dbraw/zinc/01/70/67/1039017067.db2.gz RMGBCOOZKQDGAX-UHFFFAOYSA-N -2 3 318.737 3.561 20 0 DHADHL C[C@@H]1CCN(C(=O)c2cc(F)c([O-])c(F)c2)c2c([O-])cccc21 ZINC000186322707 333373190 /nfs/dbraw/zinc/37/31/90/333373190.db2.gz ICQQZMISEFQMIN-SECBINFHSA-N -2 3 319.307 3.530 20 0 DHADHL O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc([O-])c(Cl)c1 ZINC000469079766 339279626 /nfs/dbraw/zinc/27/96/26/339279626.db2.gz XBRBMBKZCDQEDG-UHFFFAOYSA-N -2 3 323.751 3.852 20 0 DHADHL CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000504286789 340144362 /nfs/dbraw/zinc/14/43/62/340144362.db2.gz UYYVAZZJWKNKFU-UHFFFAOYSA-N -2 3 323.389 3.630 20 0 DHADHL O=C([O-])Nc1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1F ZINC000740700018 602547211 /nfs/dbraw/zinc/54/72/11/602547211.db2.gz XZTRPNDMRQPIJZ-UHFFFAOYSA-N -2 3 324.695 3.527 20 0 DHADHL O=C([O-])C1(c2ccc(Nc3cc(F)c([O-])c(F)c3)cc2)CC1 ZINC001176589086 1035291495 /nfs/dbraw/zinc/29/14/95/1035291495.db2.gz BHMDLYQPWDHLAX-UHFFFAOYSA-N -2 3 305.280 3.530 20 0 DHADHL O=C([O-])c1c(F)cc(Nc2nc3c(cccc3[O-])s2)cc1F ZINC001203316490 1037059197 /nfs/dbraw/zinc/05/91/97/1037059197.db2.gz ORRHPGLIYLWTMN-UHFFFAOYSA-N -2 3 322.292 3.722 20 0 DHADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1csc2ccccc21 ZINC001186495489 1037419903 /nfs/dbraw/zinc/41/99/03/1037419903.db2.gz OCOWCRCGTBKVCK-UHFFFAOYSA-N -2 3 323.370 3.547 20 0 DHADHL Cc1cc(Cl)cc(NC(=O)c2cc(F)c([O-])c(F)c2)c1[O-] ZINC000186962921 333382440 /nfs/dbraw/zinc/38/24/40/333382440.db2.gz WONARMHCENZVKO-UHFFFAOYSA-N -2 3 313.687 3.590 20 0 DHADHL O=C(Cc1ccc([O-])cc1Cl)Nc1cccc(Cl)c1[O-] ZINC000178357894 337164071 /nfs/dbraw/zinc/16/40/71/337164071.db2.gz WBYABOKWMCMXFL-UHFFFAOYSA-N -2 3 312.152 3.586 20 0 DHADHL O=C(Cc1ccc([O-])cc1Cl)Nc1ccc([O-])c(Cl)c1 ZINC000182878350 337190599 /nfs/dbraw/zinc/19/05/99/337190599.db2.gz HUIUEWJJHIPRJX-UHFFFAOYSA-N -2 3 312.152 3.586 20 0 DHADHL CCc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c([O-])c1 ZINC000436879738 338291519 /nfs/dbraw/zinc/29/15/19/338291519.db2.gz NPOUFSDBUBQRSV-UHFFFAOYSA-N -2 3 300.289 3.516 20 0 DHADHL O=C(N=c1nc(-c2ccccc2)[n-]s1)[N-]OC1CCCCC1 ZINC000778265961 1028099513 /nfs/dbraw/zinc/09/95/13/1028099513.db2.gz PKJCBFROZLKTIW-UHFFFAOYSA-N -2 3 318.402 3.591 20 0 DHADHL O=C([O-])c1ccc(Nc2cccc([O-])c2Br)s1 ZINC001174808857 1034632773 /nfs/dbraw/zinc/63/27/73/1034632773.db2.gz VMZDKRHZMIEIMU-UHFFFAOYSA-N -2 3 314.160 3.658 20 0 DHADHL O=C([O-])C1(c2ccc(Nc3cccc(Cl)c3[O-])cc2)CC1 ZINC001176589219 1035292188 /nfs/dbraw/zinc/29/21/88/1035292188.db2.gz FKWFEUSRSNJCES-UHFFFAOYSA-N -2 3 303.745 3.905 20 0 DHADHL O=C([O-])c1cccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1Cl ZINC000352005239 336187974 /nfs/dbraw/zinc/18/79/74/336187974.db2.gz CHVGSQMUDITVEF-VOTSOKGWSA-N -2 3 316.744 3.582 20 0 DHADHL CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436651766 338281513 /nfs/dbraw/zinc/28/15/13/338281513.db2.gz HWJDYHGXAXFYME-UHFFFAOYSA-N -2 3 313.353 3.560 20 0 DHADHL O=C(CCCc1ccc([O-])c(F)c1)Nc1cccc(Cl)c1[O-] ZINC000468884910 339273662 /nfs/dbraw/zinc/27/36/62/339273662.db2.gz HXSWMTRBBYBLOX-UHFFFAOYSA-N -2 3 323.751 3.852 20 0 DHADHL Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1NC(=O)[O-] ZINC000829962278 605888502 /nfs/dbraw/zinc/88/85/02/605888502.db2.gz ZQLYUKFTDJSRHA-UHFFFAOYSA-N -2 3 320.732 3.696 20 0 DHADHL CCc1ccc([O-])c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC001597556028 988284785 /nfs/dbraw/zinc/28/47/85/988284785.db2.gz FMIRXIKFULAZDR-UHFFFAOYSA-N -2 3 319.744 3.559 20 0 DHADHL O=C([O-])c1ccc(NC(=S)Nc2ccc(Cl)cc2[O-])cc1 ZINC001197112322 1036691673 /nfs/dbraw/zinc/69/16/73/1036691673.db2.gz AGPSAAIXRBFQNA-UHFFFAOYSA-N -2 3 322.773 3.553 20 0 DHADHL O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1c([O-])cccc1F ZINC000436903445 338292801 /nfs/dbraw/zinc/29/28/01/338292801.db2.gz WLICMYQXANAUNV-UHFFFAOYSA-N -2 3 315.222 3.508 20 0 DHADHL O=C([O-])c1cccc2oc(/C=C\c3c(F)ccc([O-])c3F)nc21 ZINC000485983791 339717985 /nfs/dbraw/zinc/71/79/85/339717985.db2.gz WTDRTLDPPZHXLG-DAXSKMNVSA-N -2 3 317.247 3.680 20 0 DHADHL CCCc1cc(=O)[n-]c(C(=Cc2cc(C)c(C(=O)[O-])o2)CC)n1 ZINC001596050530 983349216 /nfs/dbraw/zinc/34/92/16/983349216.db2.gz KLKYVKAXGPVZSS-DHZHZOJOSA-N -2 3 316.357 3.685 20 0 DHADHL O=C([O-])c1ccc(Nc2nc3c(cccc3[O-])s2)cc1F ZINC001175155346 1034817299 /nfs/dbraw/zinc/81/72/99/1034817299.db2.gz RSKKSOZPBAIZDU-UHFFFAOYSA-N -2 3 304.302 3.583 20 0 DHADHL O=C([O-])c1cccc(Nc2cccc([O-])c2Br)c1 ZINC001175334904 1034939590 /nfs/dbraw/zinc/93/95/90/1034939590.db2.gz OAYGPCGNVRWABB-UHFFFAOYSA-N -2 3 308.131 3.597 20 0 DHADHL O=C([O-])c1ccc2nc(/C=C\c3c(F)ccc([O-])c3F)oc2c1 ZINC000486101857 1036117927 /nfs/dbraw/zinc/11/79/27/1036117927.db2.gz KCIBTZIOOSNUCA-KXFIGUGUSA-N -2 3 317.247 3.680 20 0 DHADHL O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(Cl)cc1[O-] ZINC000469118882 339280749 /nfs/dbraw/zinc/28/07/49/339280749.db2.gz ZTJWPZVNUUPHML-UHFFFAOYSA-N -2 3 323.751 3.852 20 0 DHADHL CCC(C)(C)C1CCC(CC(=O)[N-]OCCCC(=O)[O-])CC1 ZINC001594797293 981886076 /nfs/dbraw/zinc/88/60/76/981886076.db2.gz XMVKEXKMWWIEOY-UHFFFAOYSA-N -2 3 313.438 3.532 20 0 DHADHL Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c([O-])c1C ZINC000622518674 1016444263 /nfs/dbraw/zinc/44/42/63/1016444263.db2.gz CASRCYLMYXZILW-UHFFFAOYSA-N -2 3 309.724 3.759 20 0 DHADHL [O-]c1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c(F)c1 ZINC000445448730 1017856634 /nfs/dbraw/zinc/85/66/34/1017856634.db2.gz SRQAZKZXWYMXGT-UHFFFAOYSA-N -2 3 306.680 3.607 20 0 DHADHL Cc1ccc(Nc2cccc([O-])c2Br)cc1C(=O)[O-] ZINC001211607929 1018889307 /nfs/dbraw/zinc/88/93/07/1018889307.db2.gz DPFIFXNKPDKFRN-UHFFFAOYSA-N -2 3 322.158 3.905 20 0 DHADHL O=C(Nc1cc(Cl)ccc1[O-])c1ccc2[n-]c(=S)oc2c1 ZINC000129450738 1023970869 /nfs/dbraw/zinc/97/08/69/1023970869.db2.gz OEUNHPCTJJWURV-UHFFFAOYSA-N -2 3 320.757 3.728 20 0 DHADHL CCCc1cc(=O)[n-]c(C(=Cc2cc(C(=O)[O-])c(C)o2)CC)n1 ZINC000899370820 1034617117 /nfs/dbraw/zinc/61/71/17/1034617117.db2.gz BKGASQJMYVICHK-YRNVUSSQSA-N -2 3 316.357 3.685 20 0 DHADHL [S-]c1cccc(Cl)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175431781 1034980040 /nfs/dbraw/zinc/98/00/40/1034980040.db2.gz NJYJDQYRQQJVOX-UHFFFAOYSA-N -2 3 303.778 3.552 20 0 DHADHL CC(C)c1ccc(C(=O)N2CCCc3cccc([O-])c32)c([O-])c1 ZINC000332182702 336161838 /nfs/dbraw/zinc/16/18/38/336161838.db2.gz AJAROKBIXDGHSR-UHFFFAOYSA-N -2 3 311.381 3.814 20 0 DHADHL CCc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)c([O-])c1 ZINC000436876794 338291273 /nfs/dbraw/zinc/29/12/73/338291273.db2.gz BGAYQWJCMDHPRF-UHFFFAOYSA-N -2 3 300.289 3.516 20 0 DHADHL Cc1cc(Cl)cc(NC(=O)c2ccc([O-])c(Cl)c2)c1[O-] ZINC000116979616 337845507 /nfs/dbraw/zinc/84/55/07/337845507.db2.gz NLWYEFFDKNLVEP-UHFFFAOYSA-N -2 3 312.152 3.965 20 0 DHADHL Cc1cc(C(=O)[N-]c2c([O-])c(Cl)cc(Cl)c2Cl)on1 ZINC000156563285 338370019 /nfs/dbraw/zinc/37/00/19/338370019.db2.gz RQRXUQDEYKKLIE-UHFFFAOYSA-N -2 3 321.547 3.901 20 0 DHADHL C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccc(C(=O)[O-])o1 ZINC001593556453 995642976 /nfs/dbraw/zinc/64/29/76/995642976.db2.gz LPLRDWFJFIFBOF-RXMQYKEDSA-N -2 3 318.112 3.531 20 0 DHADHL CC(=O)c1ccc([O-])c(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000436996799 1025255190 /nfs/dbraw/zinc/25/51/90/1025255190.db2.gz DAGWHPKKTZNNSX-UHFFFAOYSA-N -2 3 321.332 3.706 20 0 DHADHL O=c1ccn(-c2ccc(NCc3cccc([O-])c3Cl)cc2)[n-]1 ZINC001203321024 1037264682 /nfs/dbraw/zinc/26/46/82/1037264682.db2.gz QHKPAXIRQPJPFJ-UHFFFAOYSA-N -2 3 315.760 3.549 20 0 DHADHL O=C(Nc1cc(Br)ccc1[O-])c1cccc([S-])c1 ZINC001186152211 1037324651 /nfs/dbraw/zinc/32/46/51/1037324651.db2.gz HDYAWHSXXDISCM-UHFFFAOYSA-N -2 3 324.199 3.696 20 0 DHADHL Cc1cccc([O-])c1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000183033452 333051720 /nfs/dbraw/zinc/05/17/20/333051720.db2.gz JHOHNAGSRIAESU-UHFFFAOYSA-N -2 3 311.259 3.677 20 0 DHADHL C[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])c2c([O-])cccc21 ZINC000186336853 333373050 /nfs/dbraw/zinc/37/30/50/333373050.db2.gz UYKSKMKWTQSKBP-JTQLQIEISA-N -2 3 317.772 3.905 20 0 DHADHL Cc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c([O-])c1C ZINC000445486859 338496858 /nfs/dbraw/zinc/49/68/58/338496858.db2.gz PTLSLEIZTBFOCQ-UHFFFAOYSA-N -2 3 300.289 3.571 20 0 DHADHL CSc1ccccc1[N-]C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183346930 337191463 /nfs/dbraw/zinc/19/14/63/337191463.db2.gz UABNZFHUZXJUIR-UHFFFAOYSA-N -2 3 313.300 3.784 20 0 DHADHL [O-]c1ccc(-c2noc(-c3cc(Cl)ccc3[O-])n2)c(F)c1 ZINC000445455521 338017338 /nfs/dbraw/zinc/01/73/38/338017338.db2.gz KXMVNELRLWSJLG-UHFFFAOYSA-N -2 3 306.680 3.607 20 0 DHADHL Cc1cc(Cl)cc(NC(=O)c2c(F)ccc([O-])c2F)c1[O-] ZINC000438913093 338355857 /nfs/dbraw/zinc/35/58/57/338355857.db2.gz ARDXNJISINVVIB-UHFFFAOYSA-N -2 3 313.687 3.590 20 0 DHADHL CC(C)(C)c1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)c([O-])c1 ZINC000507715313 340229213 /nfs/dbraw/zinc/22/92/13/340229213.db2.gz ROKMMTRAEAHTMO-UHFFFAOYSA-N -2 3 319.401 3.663 20 0 DHADHL Cc1cc([C@H](C)OC(=O)c2cc3ccsc3[n-]2)oc1C(=O)[O-] ZINC000832873634 604552349 /nfs/dbraw/zinc/55/23/49/604552349.db2.gz FGJCLQPZOPYSEI-QMMMGPOBSA-N -2 3 319.338 3.747 20 0 DHADHL Cc1cc(Nc2cccc([O-])c2Br)cc(C(=O)[O-])c1 ZINC001211550254 1017010550 /nfs/dbraw/zinc/01/05/50/1017010550.db2.gz XBIKJCNYVTZVQK-UHFFFAOYSA-N -2 3 322.158 3.905 20 0 DHADHL CCc1ccc([O-])c(C(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000805259433 1025568234 /nfs/dbraw/zinc/56/82/34/1025568234.db2.gz RMJBLRGAZRQWQX-UHFFFAOYSA-N -2 3 309.724 3.705 20 0 DHADHL O=C([O-])Cc1ccc(Nc2cccc([O-])c2Br)cc1 ZINC001174956563 1034706465 /nfs/dbraw/zinc/70/64/65/1034706465.db2.gz OLBUPVMXJQDEJM-UHFFFAOYSA-N -2 3 322.158 3.525 20 0 DHADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1cc2ccccc2s1 ZINC001185459910 1037147436 /nfs/dbraw/zinc/14/74/36/1037147436.db2.gz LQESLNZEKXVMRG-UHFFFAOYSA-N -2 3 323.370 3.547 20 0 DHADHL O=C([O-])c1cc(/C=C\c2ccc([O-])c(F)c2)nc2ccccc21 ZINC000436545289 338276336 /nfs/dbraw/zinc/27/63/36/338276336.db2.gz NFXAFHPAFPFBQB-ALCCZGGFSA-N -2 3 309.296 3.948 20 0 DHADHL O=C([O-])c1ccc2nc(/C=C\c3ccc([O-])c(F)c3)ccc2c1 ZINC000436662983 338282023 /nfs/dbraw/zinc/28/20/23/338282023.db2.gz HOLGIYTVFIWPNW-KTAJNNJTSA-N -2 3 309.296 3.948 20 0 DHADHL CC(=O)c1ccc([O-])c(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436676157 338282500 /nfs/dbraw/zinc/28/25/00/338282500.db2.gz NPMIDFCOVJWFGR-UHFFFAOYSA-N -2 3 313.353 3.676 20 0 DHADHL Cc1ccc(NC(=O)c2c([O-])cc(Cl)cc2Cl)c([O-])c1 ZINC000436752617 338285410 /nfs/dbraw/zinc/28/54/10/338285410.db2.gz BOTISJUZNUHNEA-UHFFFAOYSA-N -2 3 312.152 3.965 20 0 DHADHL CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1 ZINC000127882563 340857364 /nfs/dbraw/zinc/85/73/64/340857364.db2.gz SUJOUPMHBIZFKN-UHFFFAOYSA-N -2 3 323.389 3.531 20 0 DHADHL CC(C)c1ccc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c([O-])c1 ZINC001573566265 959288256 /nfs/dbraw/zinc/28/82/56/959288256.db2.gz HNUGMONXVZDAOM-CQSZACIVSA-N -2 3 321.417 3.525 20 0 DHADHL O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1cncc([O-])c1 ZINC001167444653 1014534726 /nfs/dbraw/zinc/53/47/26/1014534726.db2.gz JXTDCZPQCBWWHT-UHFFFAOYSA-N -2 3 314.728 3.552 20 0 DHADHL Cc1ccc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)c([O-])c1 ZINC001148500187 1032409066 /nfs/dbraw/zinc/40/90/66/1032409066.db2.gz KXFCQAYZPZUBLX-UHFFFAOYSA-N -2 3 312.152 3.965 20 0 DHADHL Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c(C)s1 ZINC000182493135 1021687707 /nfs/dbraw/zinc/68/77/07/1021687707.db2.gz HWNRWSKKPWQBSK-UHFFFAOYSA-N -2 3 317.819 3.525 20 0 DHADHL O=P([O-])([O-])CCOC(C1CCCCC1)C1CCCCC1 ZINC001224606631 1035163490 /nfs/dbraw/zinc/16/34/90/1035163490.db2.gz QYIVEVFUSJLYCD-UHFFFAOYSA-N -2 3 304.367 3.710 20 0 DHADHL O=C([O-])C1(c2ccc(Nc3ccc([O-])c(F)c3F)cc2)CC1 ZINC001176586080 1035289509 /nfs/dbraw/zinc/28/95/09/1035289509.db2.gz BAQKXLBKRGGHNZ-UHFFFAOYSA-N -2 3 305.280 3.530 20 0 DHADHL Cc1cccc([O-])c1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001188654712 1037944754 /nfs/dbraw/zinc/94/47/54/1037944754.db2.gz GKMFJDWVMZBVOR-UHFFFAOYSA-N -2 3 311.259 3.677 20 0 DHADHL C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])c2c([O-])cccc21 ZINC000186336836 333372994 /nfs/dbraw/zinc/37/29/94/333372994.db2.gz UYKSKMKWTQSKBP-SNVBAGLBSA-N -2 3 317.772 3.905 20 0 DHADHL [O-]c1ccc(-c2noc(-c3cc(Cl)ccc3[O-])n2)cc1F ZINC000236582455 340662665 /nfs/dbraw/zinc/66/26/65/340662665.db2.gz AOLOZIPSMZABJL-UHFFFAOYSA-N -2 3 306.680 3.607 20 0 DHADHL Cc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1NC(=O)[O-] ZINC000830230629 603508973 /nfs/dbraw/zinc/50/89/73/603508973.db2.gz NZZKVIYGMKOERC-UHFFFAOYSA-N -2 3 320.732 3.696 20 0 DHADHL Cc1cc([C@@H](C)OC(=O)c2cc3ccsc3[n-]2)oc1C(=O)[O-] ZINC000832873633 604552474 /nfs/dbraw/zinc/55/24/74/604552474.db2.gz FGJCLQPZOPYSEI-MRVPVSSYSA-N -2 3 319.338 3.747 20 0 DHADHL Cc1ccc(Nc2nc3c(cccc3[O-])s2)cc1C(=O)[O-] ZINC001211592348 1018610682 /nfs/dbraw/zinc/61/06/82/1018610682.db2.gz VPGKEUOFRRYBRP-UHFFFAOYSA-N -2 3 300.339 3.752 20 0 DHADHL Cc1cc(C(=O)[O-])ccc1Nc1nc2c(cccc2[O-])s1 ZINC001211615299 1019159339 /nfs/dbraw/zinc/15/93/39/1019159339.db2.gz IAESPVOZILDHQB-UHFFFAOYSA-N -2 3 300.339 3.752 20 0 DHADHL CCC(=O)c1ccc([O-])c(NC(=O)c2cccc(CC)c2[O-])c1 ZINC000566888825 1028800239 /nfs/dbraw/zinc/80/02/39/1028800239.db2.gz RYYPRJBSWJEFCB-UHFFFAOYSA-N -2 3 313.353 3.505 20 0 DHADHL O=C(Nc1cc(Cl)ccc1[O-])c1ccc2oc(=S)[n-]c2c1 ZINC000816896594 1029030179 /nfs/dbraw/zinc/03/01/79/1029030179.db2.gz NLHMKFRMPFXFPU-UHFFFAOYSA-N -2 3 320.757 3.728 20 0 DHADHL CC(C)(C)c1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccn1 ZINC001176239620 1035230581 /nfs/dbraw/zinc/23/05/81/1035230581.db2.gz QLPBQTQLAYAMKY-UHFFFAOYSA-N -2 3 314.341 3.519 20 0 DHADHL O=C([O-])c1ccc(NC(=S)Nc2c([O-])cccc2Cl)cc1 ZINC001197112702 1036691145 /nfs/dbraw/zinc/69/11/45/1036691145.db2.gz HLPVOHGZINMZIF-UHFFFAOYSA-N -2 3 322.773 3.553 20 0 DHADHL O=C(Nc1cccc(C(F)(F)F)c1[O-])c1ccc([O-])c(F)c1 ZINC001186227118 1037339532 /nfs/dbraw/zinc/33/95/32/1037339532.db2.gz XGCWWOJXYSUCHG-UHFFFAOYSA-N -2 3 315.222 3.508 20 0 DHADHL O=C(Nc1c(Cl)ccc([O-])c1Cl)c1ccc([O-])cc1F ZINC001186329981 1037377349 /nfs/dbraw/zinc/37/73/49/1037377349.db2.gz ZDQQHDKLZZOQHW-UHFFFAOYSA-N -2 3 316.115 3.796 20 0 DHADHL C[C@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)c2c([O-])cccc21 ZINC000186279218 333372860 /nfs/dbraw/zinc/37/28/60/333372860.db2.gz QDKSOPZQGWWQNL-JTQLQIEISA-N -2 3 317.772 3.905 20 0 DHADHL O=C([O-])c1cnc(/C=C/c2cc([O-])cc(C(F)(F)F)c2)s1 ZINC000357173692 971530985 /nfs/dbraw/zinc/53/09/85/971530985.db2.gz PEKWAPXTIRTTEY-OWOJBTEDSA-N -2 3 315.272 3.736 20 0 DHADHL Cc1ccc([O-])c(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000213360644 1024162410 /nfs/dbraw/zinc/16/24/10/1024162410.db2.gz GDCZBNFDWCTJRT-UHFFFAOYSA-N -2 3 312.152 3.965 20 0 DHADHL O=C([O-])/C=C/c1ccc(Nc2nc3c(cccc3[O-])s2)cc1 ZINC001176591967 1035291649 /nfs/dbraw/zinc/29/16/49/1035291649.db2.gz QVWQKKRCVSDFMI-RMKNXTFCSA-N -2 3 312.350 3.843 20 0 DHADHL O=C([O-])COc1cccc(/C=C/c2ccc3cccc([O-])c3n2)c1 ZINC000354179735 336462645 /nfs/dbraw/zinc/46/26/45/336462645.db2.gz OUKDXDUHWZGVIO-VQHVLOKHSA-N -2 3 321.332 3.574 20 0 DHADHL Cc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)c([O-])c1C ZINC000445457408 338017631 /nfs/dbraw/zinc/01/76/31/338017631.db2.gz RSDPVNZEJWYAIM-UHFFFAOYSA-N -2 3 300.289 3.571 20 0 DHADHL CCC(CC)(CC(=O)Nc1ccc(C(C)(C)C)cc1[O-])C(=O)[O-] ZINC000507712745 340229221 /nfs/dbraw/zinc/22/92/21/340229221.db2.gz DOLCMODIMIZXMJ-UHFFFAOYSA-N -2 3 321.417 3.909 20 0 DHADHL CCCC[C@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)[O-] ZINC001595644930 981983618 /nfs/dbraw/zinc/98/36/18/981983618.db2.gz LBUGOFQPGBDBLW-VIFPVBQESA-N -2 3 315.778 3.683 20 0 DHADHL C[C@H](OC(=O)c1cc2ccsc2[n-]1)c1ccc(C(=O)[O-])cc1 ZINC001599904214 984901382 /nfs/dbraw/zinc/90/13/82/984901382.db2.gz OHLLGVYAUFRRDH-VIFPVBQESA-N -2 3 315.350 3.846 20 0 DHADHL O=C(Nc1ccc(F)c([O-])c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001148813974 1032448180 /nfs/dbraw/zinc/44/81/80/1032448180.db2.gz CNCGXGXULLFLGR-UHFFFAOYSA-N -2 3 316.115 3.796 20 0 DHADHL Cc1ccc(C(=O)[O-])cc1Nc1cccc([O-])c1Br ZINC001174986566 1034748573 /nfs/dbraw/zinc/74/85/73/1034748573.db2.gz QWONSUNAXKJAEJ-UHFFFAOYSA-N -2 3 322.158 3.905 20 0 DHADHL O=C([O-])C1(c2ccc(Nc3cccc([O-])c3Cl)cc2)CC1 ZINC001176589043 1035290918 /nfs/dbraw/zinc/29/09/18/1035290918.db2.gz UHJZQCKGOAZQPQ-UHFFFAOYSA-N -2 3 303.745 3.905 20 0 DHADHL C[Si](C)(C)CCS(=O)(=O)[N-]c1c([O-])ccc2ccccc21 ZINC001195072391 1036125914 /nfs/dbraw/zinc/12/59/14/1036125914.db2.gz NNWHNFIFBQFYAI-UHFFFAOYSA-N -2 3 323.490 3.625 20 0 DHADHL Cc1cccc([O-])c1C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001188649078 1037944526 /nfs/dbraw/zinc/94/45/26/1037944526.db2.gz QQBKXYOPNDGMHD-UHFFFAOYSA-N -2 3 312.152 3.965 20 0 DHADHL COc1cc(-c2nc3cccc(C)c3c(=O)[n-]2)cc(Cl)c1[O-] ZINC000436594600 338279145 /nfs/dbraw/zinc/27/91/45/338279145.db2.gz HTCGYBNPSOYKMM-UHFFFAOYSA-N -2 3 316.744 3.678 20 0 DHADHL Cc1ccc(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)c([O-])c1 ZINC000237651224 525225831 /nfs/dbraw/zinc/22/58/31/525225831.db2.gz MTYQRZVLDVBZKU-GOSISDBHSA-N -2 3 319.401 3.700 20 0 DHADHL O=C([O-])Nc1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccc1F ZINC000834255497 606014363 /nfs/dbraw/zinc/01/43/63/606014363.db2.gz GPKJAINHDCFLAV-UHFFFAOYSA-N -2 3 324.695 3.527 20 0 DHADHL O=C([O-])c1cnc(C=Cc2ccc(-c3ccccc3)cc2)[n-]c1=O ZINC000670369987 1019619251 /nfs/dbraw/zinc/61/92/51/1019619251.db2.gz PGTNEVSOMAFNLK-DHZHZOJOSA-N -2 3 318.332 3.718 20 0 DHADHL COc1cc(C=CC(=O)c2sccc2[O-])cc(Cl)c1[O-] ZINC000184517704 1022957713 /nfs/dbraw/zinc/95/77/13/1022957713.db2.gz MBXMSOSUGFHKFM-NSCUHMNNSA-N -2 3 310.758 3.717 20 0 DHADHL CCc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)c([O-])c1 ZINC000805261551 1025568942 /nfs/dbraw/zinc/56/89/42/1025568942.db2.gz FICJTRMMBGHYPL-UHFFFAOYSA-N -2 3 309.724 3.705 20 0 DHADHL CCCCCC(CCCCC)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233939366 1036562724 /nfs/dbraw/zinc/56/27/24/1036562724.db2.gz IOOLOEJDGAVCLN-UHFFFAOYSA-N -2 3 306.410 3.554 20 0 DHADHL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1 ZINC000448074955 332494260 /nfs/dbraw/zinc/49/42/60/332494260.db2.gz QXODQBCXBWQJCG-LLVKDONJSA-N -2 3 323.389 3.846 20 0 DHADHL CCC[C@H](CC)S(=O)(=O)[N-]c1cc(Cl)cc(C)c1[O-] ZINC000583805675 337335279 /nfs/dbraw/zinc/33/52/79/337335279.db2.gz SQSMBRFJKHOYNK-NSHDSACASA-N -2 3 305.827 3.674 20 0 DHADHL CC(C)n1ncc2c1nc(/C=C/c1cccc([O-])c1)cc2C(=O)[O-] ZINC000554518906 341456378 /nfs/dbraw/zinc/45/63/78/341456378.db2.gz ZSXJIDRPXKARFI-VOTSOKGWSA-N -2 3 323.352 3.586 20 0 DHADHL O=C([O-])Nc1ccc(C(=O)Nc2cccc([O-])c2F)c(Cl)c1 ZINC000834255817 605716361 /nfs/dbraw/zinc/71/63/61/605716361.db2.gz JQORKUZXXULHLI-UHFFFAOYSA-N -2 3 324.695 3.527 20 0 DHADHL CCCc1cc(=O)[n-]c(C(=Cc2cccc(C(=O)[O-])c2)CC)n1 ZINC000279011187 962858015 /nfs/dbraw/zinc/85/80/15/962858015.db2.gz SVSWZIZQHPZJPS-UKTHLTGXSA-N -2 3 312.369 3.784 20 0 DHADHL CCc1cccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1[O-] ZINC000622518873 1016445827 /nfs/dbraw/zinc/44/58/27/1016445827.db2.gz KXDLAZAVJHNYSM-UHFFFAOYSA-N -2 3 309.724 3.705 20 0 DHADHL Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])c([O-])c1 ZINC001148500363 1032409425 /nfs/dbraw/zinc/40/94/25/1032409425.db2.gz MKANTXRHHGXSRP-UHFFFAOYSA-N -2 3 311.259 3.677 20 0 DHADHL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc([O-])ccc1Cl ZINC000810559136 1026779645 /nfs/dbraw/zinc/77/96/45/1026779645.db2.gz MMULUIWBLGEXGH-UHFFFAOYSA-N -2 3 320.757 3.728 20 0 DHADHL CC(C)(C)c1nnc([N-]c2c(F)cc(F)c([O-])c2F)s1 ZINC001176662038 1035316578 /nfs/dbraw/zinc/31/65/78/1035316578.db2.gz GMXBQSYYPQXGQL-UHFFFAOYSA-N -2 3 303.309 3.702 20 0 DHADHL O=C(c1cc2ccccc2cc1[O-])N1CCCc2cccc([O-])c21 ZINC000182932128 333050249 /nfs/dbraw/zinc/05/02/49/333050249.db2.gz IPXSTJHQZUIBOS-UHFFFAOYSA-N -2 3 319.360 3.844 20 0 DHADHL O=C(Nc1cc(Cl)ccc1[O-])c1cc(F)c([O-])c(Cl)c1 ZINC000184514326 333361225 /nfs/dbraw/zinc/36/12/25/333361225.db2.gz RSLUZSJPZAYXQE-UHFFFAOYSA-N -2 3 316.115 3.796 20 0 DHADHL O=C([O-])c1cccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1Cl ZINC000352004997 336187948 /nfs/dbraw/zinc/18/79/48/336187948.db2.gz CHVGSQMUDITVEF-SREVYHEPSA-N -2 3 316.744 3.582 20 0 DHADHL CC(C)c1ccc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c([O-])c1 ZINC001573566264 959289294 /nfs/dbraw/zinc/28/92/94/959289294.db2.gz HNUGMONXVZDAOM-AWEZNQCLSA-N -2 3 321.417 3.525 20 0 DHADHL CSc1ccc(Cl)cc1[N-]C(=O)c1cc(C(=O)[O-])co1 ZINC001599814541 988398363 /nfs/dbraw/zinc/39/83/63/988398363.db2.gz OTWMOQXXVCJZMZ-UHFFFAOYSA-N -2 3 311.746 3.605 20 0 DHADHL Cc1ccc(/C=C/S(=O)(=O)[N-]c2cc(Cl)ccc2[O-])cc1 ZINC000740811477 1020953304 /nfs/dbraw/zinc/95/33/04/1020953304.db2.gz JVQQFYLLWFUXDO-CMDGGOBGSA-N -2 3 323.801 3.767 20 0 DHADHL O=C(Nc1cc(Cl)c([O-])cc1F)c1cc([O-])ccc1Cl ZINC000811527074 1027021006 /nfs/dbraw/zinc/02/10/06/1027021006.db2.gz IMRSJLBZIYMZDY-UHFFFAOYSA-N -2 3 316.115 3.796 20 0 DHADHL [O-]c1ccc(-c2noc(Cc3ccc([O-])cc3Cl)n2)c(F)c1 ZINC000445455112 338017268 /nfs/dbraw/zinc/01/72/68/338017268.db2.gz BXJKTKRIKAPIHF-UHFFFAOYSA-N -2 3 320.707 3.531 20 0 DHADHL O=C(Nc1c(Cl)ccc([O-])c1Cl)c1ccc([O-])c(F)c1 ZINC001186226565 1037336715 /nfs/dbraw/zinc/33/67/15/1037336715.db2.gz QXJHJLGJRTZOCH-UHFFFAOYSA-N -2 3 316.115 3.796 20 0 DHADHL CCOc1cc(C(=O)Nc2c(C)cccc2[O-])cc(Cl)c1[O-] ZINC000186984104 332954026 /nfs/dbraw/zinc/95/40/26/332954026.db2.gz WTTZTPFXRLSYDO-UHFFFAOYSA-N -2 3 321.760 3.711 20 0 DHADHL CC(C)c1ccc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)c([O-])c1 ZINC001591935829 976453821 /nfs/dbraw/zinc/45/38/21/976453821.db2.gz HHMOGYKJWQVIBY-UHFFFAOYSA-N -2 3 324.336 3.931 20 0 DHADHL CCc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c([O-])c1 ZINC001597503664 988072714 /nfs/dbraw/zinc/07/27/14/988072714.db2.gz WAKXAEIUUJLCGC-UHFFFAOYSA-N -2 3 319.744 3.559 20 0 DHADHL Cc1ccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c([O-])c1 ZINC000143947046 1017847746 /nfs/dbraw/zinc/84/77/46/1017847746.db2.gz WHNQFZXYDRONHR-UHFFFAOYSA-N -2 3 312.152 3.965 20 0 DHADHL O=C([O-])C1(c2ccc(Nc3c(F)cc([O-])cc3F)cc2)CC1 ZINC001176591314 1035291727 /nfs/dbraw/zinc/29/17/27/1035291727.db2.gz XPSIKXFLOOLGRH-UHFFFAOYSA-N -2 3 305.280 3.530 20 0 DHADHL CCc1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c([O-])c1 ZINC000189806405 337283185 /nfs/dbraw/zinc/28/31/85/337283185.db2.gz VPBYMYJHUZOSRM-GFCCVEGCSA-N -2 3 311.381 3.814 20 0 DHADHL [O-]c1ccc(-c2noc(-c3cc(F)ccc3[O-])n2)c(Cl)c1 ZINC000445455403 338017310 /nfs/dbraw/zinc/01/73/10/338017310.db2.gz POCQUCRAINIMKN-UHFFFAOYSA-N -2 3 306.680 3.607 20 0 DHADHL O=C([O-])c1ccc2oc(/C=C\c3c(F)ccc([O-])c3F)nc2c1 ZINC000485971638 339717518 /nfs/dbraw/zinc/71/75/18/339717518.db2.gz ASMJQDUXMFJSOO-KXFIGUGUSA-N -2 3 317.247 3.680 20 0 DHADHL CC(=O)c1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1[O-] ZINC000552287071 341384276 /nfs/dbraw/zinc/38/42/76/341384276.db2.gz HLQRVQCARYIBFN-UHFFFAOYSA-N -2 3 321.332 3.706 20 0 DHADHL CCc1ccc([O-])c(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1 ZINC000622519200 1016445010 /nfs/dbraw/zinc/44/50/10/1016445010.db2.gz UIEGVUAEXVUNKF-UHFFFAOYSA-N -2 3 309.724 3.705 20 0 DHADHL O=C([O-])c1cnc(C=Cc2cc(-c3ccccc3)cs2)[n-]c1=O ZINC000670369976 1021237399 /nfs/dbraw/zinc/23/73/99/1021237399.db2.gz OMMMFRNQDOUAFC-VOTSOKGWSA-N -2 3 324.361 3.779 20 0 DHADHL COc1cc(Nc2ccc(C)c([O-])c2Cl)ccc1C(=O)[O-] ZINC001174687354 1034549995 /nfs/dbraw/zinc/54/99/95/1034549995.db2.gz UBZJOZFGWLPHHJ-UHFFFAOYSA-N -2 3 307.733 3.804 20 0 DHADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc([O-])ccc1Cl ZINC000347037225 335465323 /nfs/dbraw/zinc/46/53/23/335465323.db2.gz YTPSXRZFFZTIGG-UHFFFAOYSA-N -2 3 316.115 3.796 20 0 DHADHL CCc1cccc(-c2nc(-c3ccc([O-])cc3F)no2)c1[O-] ZINC000520716771 336036600 /nfs/dbraw/zinc/03/66/00/336036600.db2.gz OAYCIMDCIGMTBG-UHFFFAOYSA-N -2 3 300.289 3.516 20 0 DHADHL CC(C)(C)c1ccc(NC(=O)c2ccc([O-])cc2F)c([O-])c1 ZINC000436515510 338274732 /nfs/dbraw/zinc/27/47/32/338274732.db2.gz RKUUVTYCGIEJMJ-UHFFFAOYSA-N -2 3 303.333 3.787 20 0 DHADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1 ZINC000131544811 341095341 /nfs/dbraw/zinc/09/53/41/341095341.db2.gz OLWSEVQCPQIBEF-UHFFFAOYSA-N -2 3 323.389 3.630 20 0 DHADHL O=C(Nc1ccc(Cl)cc1[O-])c1ccc2[n-]c(=S)oc2c1 ZINC000179638553 1022500969 /nfs/dbraw/zinc/50/09/69/1022500969.db2.gz WFPAJTSPHNDJTA-UHFFFAOYSA-N -2 3 320.757 3.728 20 0 DHADHL O=c1ccn(-c2ccc(Nc3ccc(Cl)c([O-])c3)cc2)[n-]1 ZINC001212595561 1022561226 /nfs/dbraw/zinc/56/12/26/1022561226.db2.gz ZQAJZQLKABTDAW-UHFFFAOYSA-N -2 3 301.733 3.681 20 0 DHADHL Cc1cc(Nc2cccc([O-])c2Br)ccc1C(=O)[O-] ZINC001211663732 1023453238 /nfs/dbraw/zinc/45/32/38/1023453238.db2.gz YMEOPPXFKZRDIL-UHFFFAOYSA-N -2 3 322.158 3.905 20 0 DHADHL O=C([O-])c1cc(Nc2nc3c(cccc3[O-])s2)ccc1F ZINC001175215439 1034871406 /nfs/dbraw/zinc/87/14/06/1034871406.db2.gz NUQLFCZLKTYHGY-UHFFFAOYSA-N -2 3 304.302 3.583 20 0 DHADHL [S-]c1ccc(Cl)cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175428439 1034978802 /nfs/dbraw/zinc/97/88/02/1034978802.db2.gz JICOVVAWGJMPCJ-UHFFFAOYSA-N -2 3 303.778 3.552 20 0 DHADHL O=C([O-])C/C(=C/c1ccc([O-])c(F)c1)c1nc2ccccc2o1 ZINC000436529918 338275404 /nfs/dbraw/zinc/27/54/04/338275404.db2.gz PMMJSGRUQZKEHB-XFFZJAGNSA-N -2 3 313.284 3.688 20 0 DHADHL Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3[O-])n[n-]2)o1 ZINC000436803562 338287976 /nfs/dbraw/zinc/28/79/76/338287976.db2.gz QHUNQZOXMBDQGW-UHFFFAOYSA-N -2 3 317.732 3.589 20 0 DHADHL CC(=O)c1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1[O-] ZINC000552070569 341367321 /nfs/dbraw/zinc/36/73/21/341367321.db2.gz WWWIRPLJZZZVEX-UHFFFAOYSA-N -2 3 321.332 3.706 20 0 DHADHL O=C([O-])Nc1ccc(C(=O)Nc2cc(F)ccc2[O-])c(Cl)c1 ZINC000832839207 604117900 /nfs/dbraw/zinc/11/79/00/604117900.db2.gz SWASJXFZGZKIBC-UHFFFAOYSA-N -2 3 324.695 3.527 20 0 DHADHL Cc1nc(C=Cc2ccc(C3CCC3)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000580756303 1014334473 /nfs/dbraw/zinc/33/44/73/1014334473.db2.gz FFBPLIQXWMJKDM-JXMROGBWSA-N -2 3 324.380 3.556 20 0 DHADHL CCc1cccc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1[O-] ZINC001597576297 988364125 /nfs/dbraw/zinc/36/41/25/988364125.db2.gz JQHLYWORNXFPEE-UHFFFAOYSA-N -2 3 313.353 3.522 20 0 DHADHL CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1 ZINC000448078337 1018567308 /nfs/dbraw/zinc/56/73/08/1018567308.db2.gz RRJZDIZPVXLMED-UHFFFAOYSA-N -2 3 323.389 3.531 20 0 DHADHL O=C([O-])c1cnc(C=Cc2ccc(-c3ccccc3)cc2)[n-]c1=O ZINC000670369988 1019620796 /nfs/dbraw/zinc/62/07/96/1019620796.db2.gz PGTNEVSOMAFNLK-FLIBITNWSA-N -2 3 318.332 3.718 20 0 DHADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1csc2ccccc21 ZINC000350897546 1024863065 /nfs/dbraw/zinc/86/30/65/1024863065.db2.gz OYBKODKBXNJCBQ-UHFFFAOYSA-N -2 3 323.370 3.547 20 0 DHADHL CCCc1cc(=O)[n-]c(C(=Cc2cc(C(=O)[O-])c(C)o2)CC)n1 ZINC000899370819 1034616309 /nfs/dbraw/zinc/61/63/09/1034616309.db2.gz BKGASQJMYVICHK-XFFZJAGNSA-N -2 3 316.357 3.685 20 0 DHADHL O=C([O-])C/C(=C/c1cc([O-])cc(F)c1)c1nc2ccccc2o1 ZINC000349041736 335630242 /nfs/dbraw/zinc/63/02/42/335630242.db2.gz BDZKOIUIQDCNFO-WZUFQYTHSA-N -2 3 313.284 3.688 20 0 DHADHL CC(C)(C)c1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)c([O-])c1 ZINC000436510684 338274690 /nfs/dbraw/zinc/27/46/90/338274690.db2.gz HORXEGVYYZJLSA-UHFFFAOYSA-N -2 3 321.323 3.926 20 0 DHADHL COc1ccc2nc(/C=C/c3ccc([O-])cc3)cc(C(=O)[O-])c2c1 ZINC000436924535 338293651 /nfs/dbraw/zinc/29/36/51/338293651.db2.gz GKEUVMDHVJUOGB-GORDUTHDSA-N -2 3 321.332 3.818 20 0 DHADHL CN(C(=O)[O-])c1ccc(OC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000827914321 603052092 /nfs/dbraw/zinc/05/20/92/603052092.db2.gz NXJXCLCNELFTDS-UHFFFAOYSA-N -2 3 316.338 3.563 20 0 DHADHL Cc1cccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1[O-] ZINC000213415980 1024164724 /nfs/dbraw/zinc/16/47/24/1024164724.db2.gz XBAOPFNYQNGRFV-UHFFFAOYSA-N -2 3 312.152 3.965 20 0 DHADHL Cc1ccc(C(=O)[O-])cc1Nc1nc2c(cccc2[O-])s1 ZINC001174981270 1034744972 /nfs/dbraw/zinc/74/49/72/1034744972.db2.gz IWTUVERXWWSGCR-UHFFFAOYSA-N -2 3 300.339 3.752 20 0 DHADHL O=C([O-])c1ccc(Nc2cccc([O-])c2Br)cc1 ZINC001176713256 1035326646 /nfs/dbraw/zinc/32/66/46/1035326646.db2.gz ALHHKVQPAQHJRD-UHFFFAOYSA-N -2 3 308.131 3.597 20 0 DHADHL O=C([O-])c1ccc(NC(=S)Nc2ccc([O-])c(Cl)c2)cc1 ZINC001197112744 1036691717 /nfs/dbraw/zinc/69/17/17/1036691717.db2.gz IKZBGBISXMBTAP-UHFFFAOYSA-N -2 3 322.773 3.553 20 0 DHADHL O=C([O-])c1cnc(-c2ccccc2)nc1/C=C/c1ccc([O-])cc1 ZINC000443451559 338451948 /nfs/dbraw/zinc/45/19/48/338451948.db2.gz YTCVKIVUVSWYGG-DHZHZOJOSA-N -2 3 318.332 3.718 20 0 DHADHL CCC(=O)c1ccc([O-])c(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000436764184 338286425 /nfs/dbraw/zinc/28/64/25/338286425.db2.gz JWZBJSOBOOGFFY-UHFFFAOYSA-N -2 3 319.744 3.596 20 0 DHADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1 ZINC000504230048 340143422 /nfs/dbraw/zinc/14/34/22/340143422.db2.gz LVDMHJPYDFUYBH-UHFFFAOYSA-N -2 3 323.389 3.630 20 0 DHADHL O=C([O-])C1(c2ccc(Nc3cc([O-])c(F)cc3F)cc2)CC1 ZINC001176589226 1035292054 /nfs/dbraw/zinc/29/20/54/1035292054.db2.gz FOWJLFRLSMAPOU-UHFFFAOYSA-N -2 3 305.280 3.530 20 0 DHADHL O=c1cc(Nc2c(F)cc(F)c([O-])c2F)n(C2CCCC2)[n-]1 ZINC001176663896 1035309444 /nfs/dbraw/zinc/30/94/44/1035309444.db2.gz NKOMKPGZGXKPGJ-UHFFFAOYSA-N -2 3 313.279 3.570 20 0 DHADHL C[C@@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)c2c([O-])cccc21 ZINC000186279199 333372794 /nfs/dbraw/zinc/37/27/94/333372794.db2.gz QDKSOPZQGWWQNL-SNVBAGLBSA-N -2 3 317.772 3.905 20 0 DHADHL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1 ZINC000448074956 1018527229 /nfs/dbraw/zinc/52/72/29/1018527229.db2.gz QXODQBCXBWQJCG-NSHDSACASA-N -2 3 323.389 3.846 20 0 DHADHL O=C([O-])c1cnc(C=Cc2cc(-c3ccccc3)cs2)[n-]c1=O ZINC000670369975 1019620711 /nfs/dbraw/zinc/62/07/11/1019620711.db2.gz OMMMFRNQDOUAFC-SREVYHEPSA-N -2 3 324.361 3.779 20 0 DHADHL O=C(Nc1ccc(Cl)cc1[O-])c1cc(F)c([O-])c(Cl)c1 ZINC000194956904 1035376841 /nfs/dbraw/zinc/37/68/41/1035376841.db2.gz QQIWZQKNIYBKNY-UHFFFAOYSA-N -2 3 316.115 3.796 20 0 DHADHL O=C(Nc1cc(F)c([O-])cc1Cl)c1ccc(Cl)cc1[O-] ZINC001179656163 1035487126 /nfs/dbraw/zinc/48/71/26/1035487126.db2.gz OLZRVHLFVVGAGH-UHFFFAOYSA-N -2 3 316.115 3.796 20 0 DHADHL COc1cc(-c2nc3cccc(F)c3c(=O)[n-]2)cc(Cl)c1[O-] ZINC000591726971 1038968734 /nfs/dbraw/zinc/96/87/34/1038968734.db2.gz SUGPKZLHTZTQFX-UHFFFAOYSA-N -2 3 320.707 3.509 20 0 DHADHL O=S(=O)([N-]c1cccc([O-])c1F)c1csc2ccccc21 ZINC000563611815 333637165 /nfs/dbraw/zinc/63/71/65/333637165.db2.gz JERDIJPNPDJKHT-UHFFFAOYSA-N -2 3 323.370 3.547 20 0 DHADHL CCCCOc1ccc(C(=O)Nc2ccccc2[O-])c([O-])c1 ZINC000436987267 338296760 /nfs/dbraw/zinc/29/67/60/338296760.db2.gz IQHUJMWVCYQHCN-UHFFFAOYSA-N -2 3 301.342 3.529 20 0 DHADHL CCOc1cc(/C=C\c2ccc(C(=O)[O-])cn2)cc(Cl)c1[O-] ZINC001597033014 986459048 /nfs/dbraw/zinc/45/90/48/986459048.db2.gz JNXPECPVBLZHKA-HYXAFXHYSA-N -2 3 319.744 3.708 20 0 DHADHL Cc1cc(Nc2nc3c(cccc3[O-])s2)cc(C(=O)[O-])c1 ZINC001211534839 1016071848 /nfs/dbraw/zinc/07/18/48/1016071848.db2.gz GPCOZEODSOGZGU-UHFFFAOYSA-N -2 3 300.339 3.752 20 0 DHADHL CCc1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c([O-])c1 ZINC000622519177 1016445588 /nfs/dbraw/zinc/44/55/88/1016445588.db2.gz SYEROVGROOCWGS-UHFFFAOYSA-N -2 3 309.724 3.705 20 0 DHADHL O=c1[n-]c(-c2cc([O-])cc(F)c2)nc2cc(C(F)(F)F)ccc12 ZINC000579820893 1012416191 /nfs/dbraw/zinc/41/61/91/1012416191.db2.gz BGPTYMFRRFJMLN-UHFFFAOYSA-N -2 3 324.233 3.866 20 0 DHADHL Cc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)c([O-])c1C ZINC000805255445 1025567714 /nfs/dbraw/zinc/56/77/14/1025567714.db2.gz QPJZTVREFDJBNA-UHFFFAOYSA-N -2 3 309.724 3.759 20 0 DHADHL COc1cc(C(=O)[O-])ccc1Nc1ccc(C)c([O-])c1Cl ZINC001174676257 1034543466 /nfs/dbraw/zinc/54/34/66/1034543466.db2.gz HSEWNKHYALDPCF-UHFFFAOYSA-N -2 3 307.733 3.804 20 0 DHADHL O=C(Nc1cc(F)c([O-])cc1Cl)c1cc(Cl)ccc1[O-] ZINC001179656312 1035487636 /nfs/dbraw/zinc/48/76/36/1035487636.db2.gz QVLCORPUEJAMMI-UHFFFAOYSA-N -2 3 316.115 3.796 20 0 DHADHL O=C(Nc1cccc(C(F)(F)F)c1[O-])c1ccc([O-])cc1F ZINC001186329154 1037358449 /nfs/dbraw/zinc/35/84/49/1037358449.db2.gz MZWWHICQHRMPET-UHFFFAOYSA-N -2 3 315.222 3.508 20 0 DHADHL CCc1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c([O-])c1 ZINC000189806386 337283125 /nfs/dbraw/zinc/28/31/25/337283125.db2.gz VPBYMYJHUZOSRM-LBPRGKRZSA-N -2 3 311.381 3.814 20 0 DHADHL CCC(=O)c1ccc([O-])c(NC(=O)c2ccc([O-])c(CC)c2)c1 ZINC000436840504 338289552 /nfs/dbraw/zinc/28/95/52/338289552.db2.gz WYYZJVIEAMWEEK-UHFFFAOYSA-N -2 3 313.353 3.505 20 0 DHADHL Cc1nc(C=Cc2ccc(C3CCC3)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000580756306 1014335646 /nfs/dbraw/zinc/33/56/46/1014335646.db2.gz FFBPLIQXWMJKDM-YFHOEESVSA-N -2 3 324.380 3.556 20 0 DHADHL O=C(Nc1ccc(F)c([O-])c1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148800866 1032446074 /nfs/dbraw/zinc/44/60/74/1032446074.db2.gz KJVFMVSUXSCJFZ-UHFFFAOYSA-N -2 3 315.222 3.508 20 0 DHADHL CCc1cccc(C(=O)Nc2cc(Cl)c([O-])cc2F)c1[O-] ZINC000805256438 1025567983 /nfs/dbraw/zinc/56/79/83/1025567983.db2.gz MVZXUKCSSIWFPR-UHFFFAOYSA-N -2 3 309.724 3.705 20 0 DHADHL O=C([O-])/C=C/c1cccc(Nc2nc3c(cccc3[O-])s2)c1 ZINC001174495846 1034413054 /nfs/dbraw/zinc/41/30/54/1034413054.db2.gz XWBILNVUXWTCMH-BQYQJAHWSA-N -2 3 312.350 3.843 20 0 DHADHL O=C([O-])c1cc(Nc2cccc([O-])c2Br)cs1 ZINC001176440983 1035265202 /nfs/dbraw/zinc/26/52/02/1035265202.db2.gz UOQBUALUMCPUNA-UHFFFAOYSA-N -2 3 314.160 3.658 20 0 DHADHL O=C(Nc1ccc(F)c([O-])c1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188587055 1037938832 /nfs/dbraw/zinc/93/88/32/1037938832.db2.gz QTFDWVTZJCPQTB-UHFFFAOYSA-N -2 3 315.222 3.508 20 0 DHADHL CCCc1cc(=O)[n-]c(C(=Cc2cc(F)c([O-])c(F)c2)CC)n1 ZINC000193619541 333304856 /nfs/dbraw/zinc/30/48/56/333304856.db2.gz CFXBGDNFUDAYGN-WDZFZDKYSA-N -2 3 320.339 3.657 20 0 DHADHL C[C@@](CC(=O)[O-])(C(=O)Nc1cc(F)ccc1[O-])C1CCCCC1 ZINC000237577300 525739010 /nfs/dbraw/zinc/73/90/10/525739010.db2.gz QQSRDIYOQXDWTG-KRWDZBQOSA-N -2 3 323.364 3.531 20 0 DHADHL CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc([O-])ccc1Cl ZINC001597464705 987898516 /nfs/dbraw/zinc/89/85/16/987898516.db2.gz PDKLMIQZWLQOLP-UHFFFAOYSA-N -2 3 319.744 3.559 20 0 DHADHL CCc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c([O-])c1 ZINC001597503774 988073122 /nfs/dbraw/zinc/07/31/22/988073122.db2.gz XWICWLPOWNHTSS-UHFFFAOYSA-N -2 3 319.744 3.559 20 0 DHADHL Cc1cc(Nc2nc3c(cccc3[O-])s2)ccc1C(=O)[O-] ZINC001211647667 1021509587 /nfs/dbraw/zinc/50/95/87/1021509587.db2.gz BSNXJGFNWLQFOP-UHFFFAOYSA-N -2 3 300.339 3.752 20 0 DHADHL C[C@H]1CCN(C(=O)c2cc(F)c([O-])c(F)c2)c2c([O-])cccc21 ZINC000186322726 333373181 /nfs/dbraw/zinc/37/31/81/333373181.db2.gz ICQQZMISEFQMIN-VIFPVBQESA-N -2 3 319.307 3.530 20 0 DHADHL O=C(Nc1cc(F)ccc1[O-])c1c([O-])cc(Cl)cc1Cl ZINC000436600742 338278651 /nfs/dbraw/zinc/27/86/51/338278651.db2.gz HZLZRZAEBMZGEG-UHFFFAOYSA-N -2 3 316.115 3.796 20 0 DHADHL CCCc1cc(=O)[n-]c(C(=Cc2cc(F)c([O-])c(F)c2)CC)n1 ZINC000436963381 338296082 /nfs/dbraw/zinc/29/60/82/338296082.db2.gz CFXBGDNFUDAYGN-IZZDOVSWSA-N -2 3 320.339 3.657 20 0 DHADHL O=C([O-])c1cnc(-c2ccccc2)nc1/C=C/c1cccc([O-])c1 ZINC000470247959 339315188 /nfs/dbraw/zinc/31/51/88/339315188.db2.gz NXXQSXOQEGJEQK-MDZDMXLPSA-N -2 3 318.332 3.718 20 0 DHADHL O=C([O-])Nc1ccc(OC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000738669374 602967319 /nfs/dbraw/zinc/96/73/19/602967319.db2.gz KXGXRHGUMISHLS-UHFFFAOYSA-N -2 3 315.112 3.631 20 0 DHADHL O=C(Nc1c([O-])cccc1Cl)c1ccc2[n-]c(=S)oc2c1 ZINC000820510565 1029737723 /nfs/dbraw/zinc/73/77/23/1029737723.db2.gz QDFIVGMWELLXME-UHFFFAOYSA-N -2 3 320.757 3.728 20 0 DHADHL [O-]c1cccc2sc(Nc3c(F)cc(F)c([O-])c3F)nc21 ZINC001176661768 1035316589 /nfs/dbraw/zinc/31/65/89/1035316589.db2.gz CRFLEWDASNSMRI-UHFFFAOYSA-N -2 3 312.272 3.868 20 0 DHADHL O=C([O-])Nc1ccc(OC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000738669267 1019308788 /nfs/dbraw/zinc/30/87/88/1019308788.db2.gz KITLHJVTQWQGSW-UHFFFAOYSA-N -2 3 302.311 3.539 20 0 DHADHL O=C([O-])c1ccnc(/C=C/c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000685901679 1021060483 /nfs/dbraw/zinc/06/04/83/1021060483.db2.gz XVVWRYLKGDUIIB-OWOJBTEDSA-N -2 3 309.243 3.675 20 0 DHADHL CCOc1cc(/C=C\c2cc(C(=O)[O-])ccn2)cc(Cl)c1[O-] ZINC000436815289 338288293 /nfs/dbraw/zinc/28/82/93/338288293.db2.gz KXDASHAUFFMJGU-ARJAWSKDSA-N -2 3 319.744 3.708 20 0 DHADHL C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccc(C(=O)[O-])o1 ZINC001593556454 995643013 /nfs/dbraw/zinc/64/30/13/995643013.db2.gz LPLRDWFJFIFBOF-YFKPBYRVSA-N -2 3 318.112 3.531 20 0 DHADHL O=C(Nc1cccc([O-])c1F)c1ccc(C(F)(F)F)cc1[O-] ZINC000182079211 1017857398 /nfs/dbraw/zinc/85/73/98/1017857398.db2.gz XKXOZUIEUPKVRZ-UHFFFAOYSA-N -2 3 315.222 3.508 20 0 DHADHL Cc1cccc([O-])c1C(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001188648699 1037945343 /nfs/dbraw/zinc/94/53/43/1037945343.db2.gz LZJMZKICVWGRML-UHFFFAOYSA-N -2 3 316.407 3.851 20 0 DHADHL CC(C)Sc1ccccc1[N-]C(=O)c1cc(C(=O)[O-])co1 ZINC000183812294 337194806 /nfs/dbraw/zinc/19/48/06/337194806.db2.gz NOVKKYMYIZOBJY-UHFFFAOYSA-N -2 3 305.355 3.731 20 0 DHADHL CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(Cl)cc(C)c1[O-] ZINC000583805674 337335238 /nfs/dbraw/zinc/33/52/38/337335238.db2.gz SQSMBRFJKHOYNK-LLVKDONJSA-N -2 3 305.827 3.674 20 0 DHADHL Cc1cc(C(=O)[O-])ccc1Nc1cccc([O-])c1Br ZINC001211626764 1019971618 /nfs/dbraw/zinc/97/16/18/1019971618.db2.gz WDLKASQDYAAEOI-UHFFFAOYSA-N -2 3 322.158 3.905 20 0 DHADHL Cc1ccc(/C=C\S(=O)(=O)[N-]c2cc(Cl)ccc2[O-])cc1 ZINC000740811478 1020953068 /nfs/dbraw/zinc/95/30/68/1020953068.db2.gz JVQQFYLLWFUXDO-HJWRWDBZSA-N -2 3 323.801 3.767 20 0 DHADHL [S-]c1cc(Cl)ccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175430188 1034981236 /nfs/dbraw/zinc/98/12/36/1034981236.db2.gz JNOZHIZVRBPHPW-UHFFFAOYSA-N -2 3 303.778 3.552 20 0 DHADHL O=C(Nc1c([O-])cccc1Cl)c1cc(F)cc(Cl)c1[O-] ZINC000552780748 341404147 /nfs/dbraw/zinc/40/41/47/341404147.db2.gz NUPLNWZMNKVJIM-UHFFFAOYSA-N -2 3 316.115 3.796 20 0 DHADHL